2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

C11H9N5 — CID 12603823

IUPAC2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nccc2nc(-c3ccccc3)nn12
InChIInChI=1S/C11H9N5/c12-11-13-7-6-9-14-10(15-16(9)11)8-4-2-1-3-5-8/h1-7H,(H2,12,13)
InChIKeyMEXHGIJEPXAFDN-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.37
Rot. Bonds1

About 2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine

2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (PubChem CID 12603823) has the molecular formula C11H9N5 and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
PubChem CID12603823
Molecular FormulaC11H9N5
Molecular Weight211.23 g/mol
Exact Mass211.09
IUPAC Name2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine
SMILESNc1nccc2nc(-c3ccccc3)nn12
InChIInChI=1S/C11H9N5/c12-11-13-7-6-9-14-10(15-16(9)11)8-4-2-1-3-5-8/h1-7H,(H2,12,13)
InChIKeyMEXHGIJEPXAFDN-UHFFFAOYSA-N
XLogP1.37
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The IUPAC name of 2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine (CID 12603823) is 2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine.
What is the SMILES notation for 2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The canonical SMILES for 2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is Nc1nccc2nc(-c3ccccc3)nn12.
What is the InChIKey of 2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
The InChIKey is MEXHGIJEPXAFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5/c12-11-13-7-6-9-14-10(15-16(9)11)8-4-2-1-3-5-8/h1-7H,(H2,12,13).
What are the key properties of 2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine?
2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine has a molecular weight of 211.23 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-[1,2,4]triazolo[1,5-c]pyrimidin-5-amine is sourced from PubChem (CID 12603823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).